4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide

C14H16N6O — CID 167269336

IUPAC4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1cnc(-c2ccc(C#N)nn2)c1
InChIInChI=1S/C14H16N6O/c1-10(2)5-6-16-14(21)20-8-13(17-9-20)12-4-3-11(7-15)18-19-12/h3-4,8-10H,5-6H2,1-2H3,(H,16,21)
InChIKeyVAUUIEUFAJHTEC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.82
Rot. Bonds4

About 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide

4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide (PubChem CID 167269336) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide
PubChem CID167269336
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1cnc(-c2ccc(C#N)nn2)c1
InChIInChI=1S/C14H16N6O/c1-10(2)5-6-16-14(21)20-8-13(17-9-20)12-4-3-11(7-15)18-19-12/h3-4,8-10H,5-6H2,1-2H3,(H,16,21)
InChIKeyVAUUIEUFAJHTEC-UHFFFAOYSA-N
XLogP1.82
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide?
The IUPAC name of 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide (CID 167269336) is 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide?
The canonical SMILES for 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide is CC(C)CCNC(=O)n1cnc(-c2ccc(C#N)nn2)c1.
What is the InChIKey of 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide?
The InChIKey is VAUUIEUFAJHTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10(2)5-6-16-14(21)20-8-13(17-9-20)12-4-3-11(7-15)18-19-12/h3-4,8-10H,5-6H2,1-2H3,(H,16,21).
What are the key properties of 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide?
4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyanopyridazin-3-yl)-N-(3-methylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 167269336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).